Summary

IMPPAT Phytochemical identifier: IMPHY009511

Phytochemical name: Panaxacol

Synonymous chemical names:
panaxacol

External chemical identifiers:
CID:129429, ChEBI:174659

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Chemical structure information

SMILES:
CCCCCCC[C@H]([C@@H](CC#CC#CC(=O)CC)O)O

InChI:
InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h16-17,19-20H,3-7,10,13-14H2,1-2H3/t16-,17-/m1/s1

InChIKey:
VNLATJUGAZKQEH-IAGOWNOFSA-N

DeepSMILES:
CCCCCCC[C@H][C@@H]CC#CC#CC=O)CC))))))))O))O

Functional groups:
CC#CC#CC(C)=O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.894

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Chemical structure download